UCSF

ZINC44825506

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.71 6.77 -9.69 1 4 0 66 265.382 5
Hi High (pH 8-9.5) 3.89 5.32 -38.77 0 4 -1 72 264.374 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )